7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine

C24H23N7O — CID 15958086

IUPAC7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)Cc1c(-c2ccc(OCc3ccccc3)cc2)cnc2c(-c3nn[nH]n3)cnn12
InChIInChI=1S/C24H23N7O/c1-16(2)12-22-20(13-25-24-21(14-26-31(22)24)23-27-29-30-28-23)18-8-10-19(11-9-18)32-15-17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,27,28,29,30)
InChIKeyDBWNJRPFMZCMCV-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.35
Rot. Bonds7

About 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine

7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958086) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958086
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)Cc1c(-c2ccc(OCc3ccccc3)cc2)cnc2c(-c3nn[nH]n3)cnn12
InChIInChI=1S/C24H23N7O/c1-16(2)12-22-20(13-25-24-21(14-26-31(22)24)23-27-29-30-28-23)18-8-10-19(11-9-18)32-15-17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,27,28,29,30)
InChIKeyDBWNJRPFMZCMCV-UHFFFAOYSA-N
XLogP4.35
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15958086) is 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is CC(C)Cc1c(-c2ccc(OCc3ccccc3)cc2)cnc2c(-c3nn[nH]n3)cnn12.
What is the InChIKey of 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DBWNJRPFMZCMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-16(2)12-22-20(13-25-24-21(14-26-31(22)24)23-27-29-30-28-23)18-8-10-19(11-9-18)32-15-17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,27,28,29,30).
What are the key properties of 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 425.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).